SCHEMBL3243870

SCHEMBL3243870

CN(C)CC(C=O)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
ALOX5 P09917 1/20 0.38
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
KEAP1 Q14145 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRK1 P41145 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL3742361 0.98 CYP3A4 (0.41) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL10585975 0.77 TAS1R3 (0.39) SLC6A2SLC6A4SLC6A3ALOX5LMNA
SCHEMBL28638700 0.77 CYP3A4 (0.40) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL27302372 0.77 CES2 (0.37) ALOX5LMNAPOLBCES2CES1
SCHEMBL27858573 0.77 CES2 (0.37) ALOX5LMNAPOLBCES2CES1
SCHEMBL27950901 0.73 TSHR (0.36) CYP3A4ALOX5LMNACES2CES1
SCHEMBL7013049 0.73 SLC6A2 (0.44) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL6278080 0.73 SLC6A2 (0.51) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL28770359 0.72 EPHX1 (0.41) LMNACES2CES1KEAP1SMN1; SMN2
SCHEMBL3243865 0.72 ALOX5 (0.45) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1541569-B1 PROCESS FOR PRODUCING N-MONOALKYL-3-HYDROXY-3-(2-THIENYL)PROPANAMINE AND INTERMEDIATE SUMITOMO SEIKA CHEMICALS (JP) 2010-05-12 EP disclosed
US-7550605-B2 Process for preparation of an anitdepressant compound SUN PHARMACEUTICAL INDUSTRIES LTD. (IN) 2009-06-23 US disclosed
US-20070191616-A1 Process for preparation of an antidepressant compound SUN PHAMACEUUTICAL INDUSTRIES LTD. (IN) 2007-08-16 US disclosed
WO-2006027798-A2 A PROCESS FOR PREPARATION OF AN ANTIDEPRESSANT COMPOUND SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2006-03-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070191616-A1 Process for preparation of an antidepressant compound TPH1, TPH2, HTR4 CYP3A4 114/4885CYP2D6 146/4885SLC6A2 13/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.